Strain engineering in single-, bi- and tri-layer MoS2, MoSe2, WS2 and WSe2

Phonons in single-layer and few-layer MoS2 and WS2

We report ab initio calculations of the phonon dispersion relations of the single-layer and bulk dichalcogenides MoS2 and WS2. We explore in detail the behavior of the Raman-active modes A1g and E1 2g as a function of the number of layers. In agreement with recent Raman spectroscopy measurements [C. Lee et al., ACS Nano 4, 2695 (2010)], we find that the A1g mode increases in frequency with an i...

Very large strain gauges based on single layer MoSe2 and WSe2 for sensing applications

Pressure coefficients for direct optical transitions in MoS2, MoSe2, WS2, and WSe2 crystals and semiconductor to metal transitions

The electronic band structure of MoS2, MoSe2, WS2, and WSe2, crystals has been studied at various hydrostatic pressures experimentally by photoreflectance (PR) spectroscopy and theoretically within the density functional theory (DFT). In the PR spectra direct optical transitions (A and B) have been clearly observed and pressure coefficients have been determined for these transitions to be: αA =...

Origin of indirect optical transitions in few-layer MoS2, WS2, and WSe2.

It has been well-established that single layer MX2 (M = Mo, W and X = S, Se) are direct gap semiconductors with band edges coinciding at the K point in contrast to their indirect gap multilayer counterparts. In few-layer MX2, there are two valleys along the Γ-K line with similar energy. There is little understanding on which of the two valleys forms the conduction band minimum (CBM) in this thi...

2H → 1T phase transition and hydrogen evolution activity of MoS2, MoSe2, WS2 and WSe2 strongly depends on the MX2 composition.

We investigate herein the four most widely considered TMD materials: MoS2, MoSe2, WS2 and WSe2. A 2H → 1T phase transition occurs during the chemical exfoliation with different efficiencies among the four materials.